Geometry & MOs

Info

ID:	331288
PubChem CID:	127248695
Reduced:	O2N6C23H32 (1)
Stoich.:	A2B6C23D32 (1)
Weight, g/mol:	446.206639
ΔH_f, kcal/mol:	-36.22
Dipole, Da:	7.26
IP(EA), eV:	-8.93(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(dimethylamino)-4-[1-(1-methyl-6-oxopyridine-3-carbonyl)pyrrolidin-3-yl]pyrimidin-5-yl]benzamide

Drug info:

PubChemData

Smile

CCN(CC)CC(=O)N1CCC(C1)C2=NC(=NC=C2C3=CC=C(C=C3)C(=O)N)N(C)C

DOS

IR

Vibrations